2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol

C23H32N2O2 — CID 178016876

IUPAC2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol
SMILESCc1cc(CN2CCC[C@H](NCCO)C2)c2ccccc2c1OCC1CC1
InChIInChI=1S/C23H32N2O2/c1-17-13-19(14-25-11-4-5-20(15-25)24-10-12-26)21-6-2-3-7-22(21)23(17)27-16-18-8-9-18/h2-3,6-7,13,18,20,24,26H,4-5,8-12,14-16H2,1H3/t20-/m0/s1
InChIKeyUNLXMGQJZKEPIL-FQEVSTJZSA-N
MW368.52 g/mol
LogP3.48
Rot. Bonds8

About 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol

2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol (PubChem CID 178016876) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol
PubChem CID178016876
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol
SMILESCc1cc(CN2CCC[C@H](NCCO)C2)c2ccccc2c1OCC1CC1
InChIInChI=1S/C23H32N2O2/c1-17-13-19(14-25-11-4-5-20(15-25)24-10-12-26)21-6-2-3-7-22(21)23(17)27-16-18-8-9-18/h2-3,6-7,13,18,20,24,26H,4-5,8-12,14-16H2,1H3/t20-/m0/s1
InChIKeyUNLXMGQJZKEPIL-FQEVSTJZSA-N
XLogP3.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol with MolForge

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Related Compounds

1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
CID 83994261
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 114345620
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
CID 117004961
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol (CID 178016876) is 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol is Cc1cc(CN2CCC[C@H](NCCO)C2)c2ccccc2c1OCC1CC1.
What is the InChIKey of 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol?
The InChIKey is UNLXMGQJZKEPIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17-13-19(14-25-11-4-5-20(15-25)24-10-12-26)21-6-2-3-7-22(21)23(17)27-16-18-8-9-18/h2-3,6-7,13,18,20,24,26H,4-5,8-12,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol?
2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol has a molecular weight of 368.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol is sourced from PubChem (CID 178016876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).