1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine

C16H29N3 — CID 174081562

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine
SMILESCC#CCC(N)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H29N3/c1-2-3-7-15(17)14-18-12-8-16(9-13-18)19-10-5-4-6-11-19/h15-16H,4-14,17H2,1H3
InChIKeyXYJVRTHXNJWMMK-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.68
Rot. Bonds4

About 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine

1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine (PubChem CID 174081562) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine
PubChem CID174081562
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine
SMILESCC#CCC(N)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H29N3/c1-2-3-7-15(17)14-18-12-8-16(9-13-18)19-10-5-4-6-11-19/h15-16H,4-14,17H2,1H3
InChIKeyXYJVRTHXNJWMMK-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64898995
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
1-(2,2-dimethoxyethyl)-4-piperidin-1-ylpiperidine
CID 66223606
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
CID 65296095
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506
4-piperidin-1-yl-1-prop-2-ynylpiperidine
CID 51086786
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine (CID 174081562) is 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine is CC#CCC(N)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine?
The InChIKey is XYJVRTHXNJWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-3-7-15(17)14-18-12-8-16(9-13-18)19-10-5-4-6-11-19/h15-16H,4-14,17H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine?
1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine has a molecular weight of 263.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)hex-4-yn-2-amine is sourced from PubChem (CID 174081562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).