3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine

C18H31N3 — CID 43829684

IUPAC3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
SMILESCCCCC(N1CCN(C)CC1)C(C)(N)c1ccccc1
InChIInChI=1S/C18H31N3/c1-4-5-11-17(21-14-12-20(3)13-15-21)18(2,19)16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,19H2,1-3H3
InChIKeyOMWUKNOJPQTBCT-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine

3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine (PubChem CID 43829684) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
PubChem CID43829684
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
SMILESCCCCC(N1CCN(C)CC1)C(C)(N)c1ccccc1
InChIInChI=1S/C18H31N3/c1-4-5-11-17(21-14-12-20(3)13-15-21)18(2,19)16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,19H2,1-3H3
InChIKeyOMWUKNOJPQTBCT-UHFFFAOYSA-N
XLogP2.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
CID 43829646
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
CID 43829679
3-methyl-2-phenylhexan-2-amine
CID 107892285
(2S)-2-phenylhexan-2-amine
CID 10889241
4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
CID 43829669
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
CID 43829671
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
2-phenyldecan-2-amine
CID 63408050

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine (CID 43829684) is 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine is CCCCC(N1CCN(C)CC1)C(C)(N)c1ccccc1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine?
The InChIKey is OMWUKNOJPQTBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-5-11-17(21-14-12-20(3)13-15-21)18(2,19)16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,19H2,1-3H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine?
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine is sourced from PubChem (CID 43829684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).