(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine

C16H23FN2 — CID 51656625

IUPAC(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1ccccc1CN1CCC[C@H](NCC2CC2)C1
InChIInChI=1S/C16H23FN2/c17-16-6-2-1-4-14(16)11-19-9-3-5-15(12-19)18-10-13-7-8-13/h1-2,4,6,13,15,18H,3,5,7-12H2/t15-/m0/s1
InChIKeyFULPGXYCFNVAGN-HNNXBMFYSA-N
MW262.37 g/mol
LogP2.79
Rot. Bonds5

About (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine

(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 51656625) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
PubChem CID51656625
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1ccccc1CN1CCC[C@H](NCC2CC2)C1
InChIInChI=1S/C16H23FN2/c17-16-6-2-1-4-14(16)11-19-9-3-5-15(12-19)18-10-13-7-8-13/h1-2,4,6,13,15,18H,3,5,7-12H2/t15-/m0/s1
InChIKeyFULPGXYCFNVAGN-HNNXBMFYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 131918704
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
CID 28954232
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
(3S)-1-[(2-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-amine
CID 28979968
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
CID 95870220
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine (CID 51656625) is (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine is Fc1ccccc1CN1CCC[C@H](NCC2CC2)C1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is FULPGXYCFNVAGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-16-6-2-1-4-14(16)11-19-9-3-5-15(12-19)18-10-13-7-8-13/h1-2,4,6,13,15,18H,3,5,7-12H2/t15-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 262.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 51656625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).