(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine

C16H27N3 — CID 78934565

IUPAC(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(17)15-6-4-5-7-16(15)19-10-8-14(9-11-19)12-18(2)3/h4-7,13-14H,8-12,17H2,1-3H3/t13-/m0/s1
InChIKeyBFMHIGQQOPZWCE-ZDUSSCGKSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds4

About (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine

(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine (PubChem CID 78934565) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
PubChem CID78934565
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H27N3/c1-13(17)15-6-4-5-7-16(15)19-10-8-14(9-11-19)12-18(2)3/h4-7,13-14H,8-12,17H2,1-3H3/t13-/m0/s1
InChIKeyBFMHIGQQOPZWCE-ZDUSSCGKSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
2-[4-[(dimethylamino)methyl]piperidin-1-yl]benzenecarbothioamide
CID 54985905
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine (CID 78934565) is (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine is C[C@H](N)c1ccccc1N1CCC(CN(C)C)CC1.
What is the InChIKey of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
The InChIKey is BFMHIGQQOPZWCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(17)15-6-4-5-7-16(15)19-10-8-14(9-11-19)12-18(2)3/h4-7,13-14H,8-12,17H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine?
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 78934565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).