1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine

C17H29N3 — CID 83011721

IUPAC1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(CN)NN2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-14(2)12-15-6-8-16(9-7-15)17(13-18)19-20-10-4-3-5-11-20/h6-9,14,17,19H,3-5,10-13,18H2,1-2H3
InChIKeyVLROCTPGADMFJO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.88
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine

1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 83011721) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
PubChem CID83011721
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(CN)NN2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-14(2)12-15-6-8-16(9-7-15)17(13-18)19-20-10-4-3-5-11-20/h6-9,14,17,19H,3-5,10-13,18H2,1-2H3
InChIKeyVLROCTPGADMFJO-UHFFFAOYSA-N
XLogP2.88
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
[2-[[2-amino-1-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclopentyl]methanol
CID 106359978
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669
N-[1-(4-butylphenyl)ethyl]piperidin-1-amine
CID 83006590
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
CID 116851302
ethyl (2S,3R)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-piperidin-1-ylpentanoate
CID 69236513
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine (CID 83011721) is 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine is CC(C)Cc1ccc(C(CN)NN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is VLROCTPGADMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)12-15-6-8-16(9-7-15)17(13-18)19-20-10-4-3-5-11-20/h6-9,14,17,19H,3-5,10-13,18H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 83011721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).