N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine

C14H30N4 — CID 115255719

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-9-5-15-6-10-18)11-16-12-14-3-7-17(2)8-4-14/h13-16H,3-12H2,1-2H3
InChIKeyBPHRDPCWZXBEFU-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.21
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine

N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255719) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255719
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-9-5-15-6-10-18)11-16-12-14-3-7-17(2)8-4-14/h13-16H,3-12H2,1-2H3
InChIKeyBPHRDPCWZXBEFU-UHFFFAOYSA-N
XLogP0.21
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255717
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine (CID 115255719) is N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine is CC(CNCC1CCN(C)CC1)N1CCNCC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is BPHRDPCWZXBEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13(18-9-5-15-6-10-18)11-16-12-14-3-7-17(2)8-4-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).