(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C21H30N2O2 — CID 95335410

IUPAC(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(CNCC2CCN(C[C@H](C)O)CC2)c2ccccc12
InChIInChI=1S/C21H30N2O2/c1-16(24)15-23-11-9-17(10-12-23)13-22-14-18-7-8-21(25-2)20-6-4-3-5-19(18)20/h3-8,16-17,22,24H,9-15H2,1-2H3/t16-/m0/s1
InChIKeyCYLBZKUWRVGLAG-INIZCTEOSA-N
MW342.48 g/mol
LogP3.03
Rot. Bonds7

About (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95335410) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95335410
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(CNCC2CCN(C[C@H](C)O)CC2)c2ccccc12
InChIInChI=1S/C21H30N2O2/c1-16(24)15-23-11-9-17(10-12-23)13-22-14-18-7-8-21(25-2)20-6-4-3-5-19(18)20/h3-8,16-17,22,24H,9-15H2,1-2H3/t16-/m0/s1
InChIKeyCYLBZKUWRVGLAG-INIZCTEOSA-N
XLogP3.03
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274104
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
(2S)-1-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95275018
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95272346
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
CID 60761267

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95335410) is (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is COc1ccc(CNCC2CCN(C[C@H](C)O)CC2)c2ccccc12.
What is the InChIKey of (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is CYLBZKUWRVGLAG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(24)15-23-11-9-17(10-12-23)13-22-14-18-7-8-21(25-2)20-6-4-3-5-19(18)20/h3-8,16-17,22,24H,9-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 342.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95335410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).