N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine

C17H28N4 — CID 62286973

IUPACN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-2-7-18-12-16-5-6-17(19-13-16)21-10-8-20(9-11-21)14-15-3-4-15/h5-6,13,15,18H,2-4,7-12,14H2,1H3
InChIKeyUOWYRWQMFTZESC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.11
Rot. Bonds7

About N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine

N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62286973) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID62286973
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-2-7-18-12-16-5-6-17(19-13-16)21-10-8-20(9-11-21)14-15-3-4-15/h5-6,13,15,18H,2-4,7-12,14H2,1H3
InChIKeyUOWYRWQMFTZESC-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
2-[4-[5-(propylaminomethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107223707
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 66451855
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
4-methyl-1-[5-(propylaminomethyl)-2-pyridinyl]azepan-4-ol
CID 107405494
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine (CID 62286973) is N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is UOWYRWQMFTZESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-7-18-12-16-5-6-17(19-13-16)21-10-8-20(9-11-21)14-15-3-4-15/h5-6,13,15,18H,2-4,7-12,14H2,1H3.
What are the key properties of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62286973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).