[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride

C18H29ClN2O2 — CID 120843737

IUPAC[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(OCC3CC3)cc2)C(CN)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-21-18-8-9-20(16(10-18)11-19)12-14-4-6-17(7-5-14)22-13-15-2-3-15;/h4-7,15-16,18H,2-3,8-13,19H2,1H3;1H
InChIKeyYUPOQYFHEOGDJX-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.84
Rot. Bonds7

About [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride

[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120843737) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
PubChem CID120843737
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(OCC3CC3)cc2)C(CN)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-21-18-8-9-20(16(10-18)11-19)12-14-4-6-17(7-5-14)22-13-15-2-3-15;/h4-7,15-16,18H,2-3,8-13,19H2,1H3;1H
InChIKeyYUPOQYFHEOGDJX-UHFFFAOYSA-N
XLogP2.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128980014
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
4-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 115963662
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride (CID 120843737) is [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride is COC1CCN(Cc2ccc(OCC3CC3)cc2)C(CN)C1.Cl.
What is the InChIKey of [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is YUPOQYFHEOGDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-21-18-8-9-20(16(10-18)11-19)12-14-4-6-17(7-5-14)22-13-15-2-3-15;/h4-7,15-16,18H,2-3,8-13,19H2,1H3;1H.
What are the key properties of [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120843737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).