3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine

C18H41N5 — CID 54346407

IUPAC3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
SMILESCCCCN1CCN(CCCN)CC1.NCCN1CCCCC1
InChIInChI=1S/C11H25N3.C7H16N2/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12;8-4-7-9-5-2-1-3-6-9/h2-12H2,1H3;1-8H2
InChIKeyUCPDNGDAIGNOOO-UHFFFAOYSA-N
MW327.56 g/mol
LogP1.18
Rot. Bonds8

About 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine

3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine (PubChem CID 54346407) has the molecular formula C18H41N5 and a molecular weight of 327.56 g/mol. Its IUPAC name is 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
PubChem CID54346407
Molecular FormulaC18H41N5
Molecular Weight327.56 g/mol
Exact Mass327.34
IUPAC Name3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
SMILESCCCCN1CCN(CCCN)CC1.NCCN1CCCCC1
InChIInChI=1S/C11H25N3.C7H16N2/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12;8-4-7-9-5-2-1-3-6-9/h2-12H2,1H3;1-8H2
InChIKeyUCPDNGDAIGNOOO-UHFFFAOYSA-N
XLogP1.18
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
methane;2-piperidin-1-ylethanamine
CID 158303452
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
1-decylpiperidine
CID 4649960

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The IUPAC name of 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine (CID 54346407) is 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine.
What is the SMILES notation for 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The canonical SMILES for 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine is CCCCN1CCN(CCCN)CC1.NCCN1CCCCC1.
What is the InChIKey of 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The InChIKey is UCPDNGDAIGNOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3.C7H16N2/c1-2-3-6-13-8-10-14(11-9-13)7-4-5-12;8-4-7-9-5-2-1-3-6-9/h2-12H2,1H3;1-8H2.
What are the key properties of 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine has a molecular weight of 327.56 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine is sourced from PubChem (CID 54346407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).