(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine

C19H29N3 — CID 11645106

IUPAC(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESCCCC[C@@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1N
InChIInChI=1S/C19H29N3/c1-2-3-6-16-14-22(12-10-18(16)20)11-9-15-13-21-19-8-5-4-7-17(15)19/h4-5,7-8,13,16,18,21H,2-3,6,9-12,14,20H2,1H3/t16-,18+/m1/s1
InChIKeyQQWVKZWZPIFCEB-AEFFLSMTSA-N
MW299.46 g/mol
LogP3.55
Rot. Bonds6

About (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine

(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine (PubChem CID 11645106) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
PubChem CID11645106
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESCCCC[C@@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1N
InChIInChI=1S/C19H29N3/c1-2-3-6-16-14-22(12-10-18(16)20)11-9-15-13-21-19-8-5-4-7-17(15)19/h4-5,7-8,13,16,18,21H,2-3,6,9-12,14,20H2,1H3/t16-,18+/m1/s1
InChIKeyQQWVKZWZPIFCEB-AEFFLSMTSA-N
XLogP3.55
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 68688509
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-heptyl-1H-indole
CID 15360907
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
CID 68687798
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine (CID 11645106) is (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine is CCCC[C@@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1N.
What is the InChIKey of (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is QQWVKZWZPIFCEB-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-6-16-14-22(12-10-18(16)20)11-9-15-13-21-19-8-5-4-7-17(15)19/h4-5,7-8,13,16,18,21H,2-3,6,9-12,14,20H2,1H3/t16-,18+/m1/s1.
What are the key properties of (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 299.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 11645106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).