(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol

C16H27N3O — CID 95882427

IUPAC(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCCc1ccc(CN2CCC[C@](O)(CN(C)C)C2)nc1
InChIInChI=1S/C16H27N3O/c1-4-14-6-7-15(17-10-14)11-19-9-5-8-16(20,13-19)12-18(2)3/h6-7,10,20H,4-5,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyJNWVAEYJOBMBMJ-INIZCTEOSA-N
MW277.41 g/mol
LogP1.53
Rot. Bonds5

About (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol

(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol (PubChem CID 95882427) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
PubChem CID95882427
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCCc1ccc(CN2CCC[C@](O)(CN(C)C)C2)nc1
InChIInChI=1S/C16H27N3O/c1-4-14-6-7-15(17-10-14)11-19-9-5-8-16(20,13-19)12-18(2)3/h6-7,10,20H,4-5,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyJNWVAEYJOBMBMJ-INIZCTEOSA-N
XLogP1.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95871785
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79740505
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
CID 95889308
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
CID 95721451
(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
CID 131891791
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol (CID 95882427) is (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol is CCc1ccc(CN2CCC[C@](O)(CN(C)C)C2)nc1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is JNWVAEYJOBMBMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-14-6-7-15(17-10-14)11-19-9-5-8-16(20,13-19)12-18(2)3/h6-7,10,20H,4-5,8-9,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol?
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 277.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 95882427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).