[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

C18H26ClFN2O2 — CID 163334101

IUPAC[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.N[C@H]1C[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H]1O
InChIInChI=1S/C18H25FN2O2.ClH/c19-15-3-1-12(2-4-15)9-13-5-7-21(8-6-13)18(23)14-10-16(20)17(22)11-14;/h1-4,13-14,16-17,22H,5-11,20H2;1H/t14-,16-,17-;/m0./s1
InChIKeyDEDKWRXABSYDPW-BDURURIASA-N
MW356.87 g/mol
LogP2.13
Rot. Bonds3

About [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 163334101) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID163334101
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.N[C@H]1C[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H]1O
InChIInChI=1S/C18H25FN2O2.ClH/c19-15-3-1-12(2-4-15)9-13-5-7-21(8-6-13)18(23)14-10-16(20)17(22)11-14;/h1-4,13-14,16-17,22H,5-11,20H2;1H/t14-,16-,17-;/m0./s1
InChIKeyDEDKWRXABSYDPW-BDURURIASA-N
XLogP2.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
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(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
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1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone;hydrochloride
CID 163334956
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (CID 163334101) is [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is Cl.N[C@H]1C[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H]1O.
What is the InChIKey of [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DEDKWRXABSYDPW-BDURURIASA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c19-15-3-1-12(2-4-15)9-13-5-7-21(8-6-13)18(23)14-10-16(20)17(22)11-14;/h1-4,13-14,16-17,22H,5-11,20H2;1H/t14-,16-,17-;/m0./s1.
What are the key properties of [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 163334101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).