N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine

C17H25N3 — CID 102909363

IUPACN-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H25N3/c1-13(2)20-9-6-16(7-10-20)19-12-14-3-4-17-15(11-14)5-8-18-17/h3-5,8,11,13,16,18-19H,6-7,9-10,12H2,1-2H3
InChIKeyPLSJWCBEOWDLSY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.13
Rot. Bonds4

About N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine

N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 102909363) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID102909363
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H25N3/c1-13(2)20-9-6-16(7-10-20)19-12-14-3-4-17-15(11-14)5-8-18-17/h3-5,8,11,13,16,18-19H,6-7,9-10,12H2,1-2H3
InChIKeyPLSJWCBEOWDLSY-UHFFFAOYSA-N
XLogP3.13
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28716549
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzonitrile
CID 28716590
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 102909363) is N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is PLSJWCBEOWDLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-9-6-16(7-10-20)19-12-14-3-4-17-15(11-14)5-8-18-17/h3-5,8,11,13,16,18-19H,6-7,9-10,12H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 102909363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).