N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine

C15H26N4 — CID 55024348

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4/c1-3-14(2)16-8-9-18-10-12-19(13-11-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyXCDSDKSVQPNPAQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine

N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine (PubChem CID 55024348) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
PubChem CID55024348
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4/c1-3-14(2)16-8-9-18-10-12-19(13-11-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyXCDSDKSVQPNPAQ-UHFFFAOYSA-N
XLogP1.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579
2-(propylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792358
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine (CID 55024348) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine is CCC(C)NCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine?
The InChIKey is XCDSDKSVQPNPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-14(2)16-8-9-18-10-12-19(13-11-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 55024348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).