N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C20H27N3O — CID 97339246

IUPACN-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCO[C@@H](C)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-16(24-2)18-4-3-5-20(14-18)22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,14,16,19,22H,8-9,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyJKGTYYHLQGANHR-INIZCTEOSA-N
MW325.46 g/mol
LogP3.87
Rot. Bonds6

About N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 97339246) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID97339246
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCO[C@@H](C)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-16(24-2)18-4-3-5-20(14-18)22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,14,16,19,22H,8-9,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyJKGTYYHLQGANHR-INIZCTEOSA-N
XLogP3.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796
2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
CID 146107579
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154756138
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154803346
1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
CID 86786877
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 97339246) is N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is CO[C@@H](C)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is JKGTYYHLQGANHR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(24-2)18-4-3-5-20(14-18)22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,14,16,19,22H,8-9,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 97339246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).